HX 600
Basic information
- CAS
172705-89-4- Standard SMILES
CN1c2ccccc2N=C(c2ccc(C(=O)O)cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C- InChIKey
DLFBCHSYAZBTSS-UHFFFAOYSA-N- Molecular formula
- C29H30N2O2
- Average molar mass
- 438.6 g/mol
- Monoisotopic mass
- 438.2307282
Overview
structure given in first source
Names & identifiers
- Preferred name
- HX 600
- IUPAC
- 4-(5,7,7,10,10-pentamethyl-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid
- English name
- HX 600
- Molecular formula
- C29H30N2O2
- Molecular weight
- 438.56
Names & synonyms
172705-89-4HX600HX 600HX-600DTXSID701693754-(7,8,9,10-Tetrahydro-5,7,7,10,10-pentamethyl-5H-benzo(b)naphtho(2,3-e)(1,4)diazepin-12-yl)benzoic acidRefChem:146932DTXCID90918664-(5,7,7,10,10-pentamethyl-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acidCHEMBL3343304-(5H-2,3-(2,5-Dimethyl-2,5-hexano)-5-methyldibenzo(b,e)(1,4)-diazepin-11-yl)benzoic acidorb1739243
Show more names
Benzoic acid,4-(7,8,9,10-tetrahydro-5,7,7,10,10-pentamethyl-5H-benzo[b]naphtho[2,3-e][1,4]diazepin-12-yl)-
SCHEMBL7125925SCHEMBL29357193XGA70589BDBM500616244-(5,7,7,10,10-Pentamethyl-7,8,9,10-tetrahydro-5H-benzo[b]naphtho[2,3-e][1,4]diazepin-12-yl)benzoic acidDA-74331HY-120875CS-0079455
Database identifiers
- CAS
172705-89-4- PubChem CID
- 128016
- DTXSID
DTXSID70169375- ChEMBL
CHEMBL334330- Nikkaji
- J686.676J
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 778
Physicochemical properties
- Boiling point
- 589.6 · 589.6±50.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 3.03 · 3.03±0.10(Predicted)
- form
- Solid
- color
- Yellow to orange
Chemistry & industry
Applications
DescriptionHX-600 is a synthetic agonist for the RXR-Nurr1 heterodimer complex. HX-600 prevents ischemia-induced neuronal damage.
UsesHX600 is a synthetic agonist for RXR (Retinoid X Receptor) heterodimer complex. HX600 prevents ischemia-induced neuronal damage. HX600 has orally bioactivity[1].
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Compound notes
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